deca-5,6-dien-5-yl(ethoxy)phosphinic acid

C12H23O3P — CID 25214089

IUPACdeca-5,6-dien-5-yl(ethoxy)phosphinic acid
SMILESCCCC=C=C(CCCC)P(=O)(O)OCC
InChIInChI=1S/C12H23O3P/c1-4-7-9-11-12(10-8-5-2)16(13,14)15-6-3/h9H,4-8,10H2,1-3H3,(H,13,14)
InChIKeyVBLSNYSBXDWAGQ-UHFFFAOYSA-N
MW246.29 g/mol
LogP4.24
Rot. Bonds8

About deca-5,6-dien-5-yl(ethoxy)phosphinic acid

deca-5,6-dien-5-yl(ethoxy)phosphinic acid (PubChem CID 25214089) has the molecular formula C12H23O3P and a molecular weight of 246.29 g/mol. Its IUPAC name is deca-5,6-dien-5-yl(ethoxy)phosphinic acid.

Molecular Properties

Compound Namedeca-5,6-dien-5-yl(ethoxy)phosphinic acid
PubChem CID25214089
Molecular FormulaC12H23O3P
Molecular Weight246.29 g/mol
Exact Mass246.14
IUPAC Namedeca-5,6-dien-5-yl(ethoxy)phosphinic acid
SMILESCCCC=C=C(CCCC)P(=O)(O)OCC
InChIInChI=1S/C12H23O3P/c1-4-7-9-11-12(10-8-5-2)16(13,14)15-6-3/h9H,4-8,10H2,1-3H3,(H,13,14)
InChIKeyVBLSNYSBXDWAGQ-UHFFFAOYSA-N
XLogP4.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethoxy(3-methylnona-3,4-dien-5-yl)phosphinic acid
CID 25215582
ethoxy(3-ethylundeca-3,4-dien-5-yl)phosphinic acid
CID 25214087
ethyl 2-butylhepta-2,3-dienoate
CID 134898007
diethyl hydrogen phosphate;non-4-ene
CID 175929703
ethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid
CID 101374265
(Z)-3-diethoxyphosphorylhept-2-ene
CID 101401796
5-(diethoxyphosphorylmethylidene)nonane
CID 10660090
2-butyldeca-2,3-dienal
CID 15151544
2-diethoxyphosphorylhex-1-enylidenecyclohexane
CID 25215350
1-diethoxyphosphoryl-N-methoxypentan-1-imine
CID 131851037
N-(2-diethoxyphosphorylethyl)pentanamide
CID 150373666
diethoxyphosphoryl 2-butylhept-2-eneperoxoate
CID 174782130

Frequently Asked Questions

What is the IUPAC name of deca-5,6-dien-5-yl(ethoxy)phosphinic acid?
The IUPAC name of deca-5,6-dien-5-yl(ethoxy)phosphinic acid (CID 25214089) is deca-5,6-dien-5-yl(ethoxy)phosphinic acid.
What is the SMILES notation for deca-5,6-dien-5-yl(ethoxy)phosphinic acid?
The canonical SMILES for deca-5,6-dien-5-yl(ethoxy)phosphinic acid is CCCC=C=C(CCCC)P(=O)(O)OCC.
What is the InChIKey of deca-5,6-dien-5-yl(ethoxy)phosphinic acid?
The InChIKey is VBLSNYSBXDWAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23O3P/c1-4-7-9-11-12(10-8-5-2)16(13,14)15-6-3/h9H,4-8,10H2,1-3H3,(H,13,14).
What are the key properties of deca-5,6-dien-5-yl(ethoxy)phosphinic acid?
deca-5,6-dien-5-yl(ethoxy)phosphinic acid has a molecular weight of 246.29 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for deca-5,6-dien-5-yl(ethoxy)phosphinic acid is sourced from PubChem (CID 25214089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).